Please login first
Prediction of antimalaria activity, cytotoxicity risks and molecular docking of constituents of rosemary essential oil (Rosmarinus officinalis L.) against Plasmodium falciparum
1 , 1 , 1 , 1 , 1 , 1 , 1 , 2, 3 , * 4, 5
1  Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil
2  Federal University of Paraíba, Health Sci. Center, 50670-910, João Pessoa, PB, Brazil
3  Teaching and Research Management - University Hospital, Federal University of Paraíba, João Pessoa, PB, Brazil
4  Postgraduate Program in Bioactive Natural and Synthetic Products, Federal University of Paraíba, Castelo Branco - João Pessoa - Brazil.
5  Postgraduate Program in Chemistry - Federal Rural University of Pernambuco - UFRPE - Recife - PE.
Academic Editor: Humbert G. Díaz

Abstract:

Plasmodium falciparum is a protozoan that causes malaria in its most severe form in humans. Its transmission occurs through female mosquitoes of the genus Anopheles infected by Plasmodium, the most common symptoms are: high fever, chills, headaches, tachycardia and muscle pain. Cerebral malaria may even occur, responsible for most fatal cases of the disease. The objective of this study is an in silico analysis of rosemary essential oil, aiming to identify possible molecules with antimalarial action against Plasmodium falciparum.

Malaria is a disease caused by the protozoan of the genus Plasmodium, transmitted by the bite of females of some species of the mosquito of the genus Anopheles. Out of 100 species, 4 of these protozoa infect humans, with Plasmodium falciparum being the one that leads to the most severe form of the disease, which can lead to death. The treatment of malaria is quite complicated, extensive and most of the time it is not effective due to reinfection.

Chloroquine is part of the treatment plan for malaria, but Plasmodium falciparum over time has become resistant to this drug. Thus, the importance of the synthesis of new antimalarial drugs.

Rosmarinus officinalis is a plant known as rosemary and belongs to the Lamiaceae family, it is widely used in traditional medicine against diseases. Rosemary essential oil and extract are biologically active compounds with strong antioxidant activity, so these antioxidant molecules in rosemary essential oil demonstrate strong potential for the synthesis of new natural antimalarial drugs.

Keywords: KNIME, toxicity, molecular modeling, molecular descriptors, malaria
Comments on this paper
Shan He
Dear authors thank you for your support to the conference.
Now we closed the publication phase and launched the post-publication phase of the conference. REVIEWWWERS'08 Brainstorming Workshop is Now Open from 2023-Jan-01 to 2023-Jan-31. MOL2NET Committee, Authors, and Validated Social Media Followers Worldwide are ... Invited to Post Moderated Questions/Answers, Comments, about papers. Please kindly post your public Answers (A) to the following questions in order to promote interchange of scientific ideas. These are my Questions (Q) to you:
Q1. What techniques have been used to make this prediction??
Q2. Have you considered to synthesizing the best antimalarial activity molecule experimentally?
Dear author thanks in advance for your kind support answering the questions. Now, please become a verified REVIEWWWER of our conference by making questions to other papers in different Mol2Net congresses. Commenting Steps: Login, Go to Papers List, Select Paper, Write Comment, Click Post Comment.

Papers list: https://mol2net-08.sciforum.net/presentations/view
Workshop link: https://mol2net-08.sciforum.net/#reviewwwers

Iratxe Aguado-Ruiz
Dear authors thank you for your support to the conference.
Now we closed the publication phase and launched the post-publication phase of the conference. REVIEWWWERS'08 Brainstorming Workshop is now open from 2023-Jan-01 to 2023-Jan-31. MOL2NET Committee, Authors, and Validated Social Media Followers Worldwide are invited to post moderated questions/answers, comments, about papers. Please kindly post your public answers (A) to the following questions in order to promote interchange of scientific ideas. This is my question (Q) to you:
Q. Can this model be optimised to discover new drugs for other diseases?
Dear author thanks in advance for your kind support answering the questions. Now, please become a verified REVIEWWWER of our conference by making questions to other papers in different Mol2Net congresses. Commenting Steps: Login, Go to Papers List, Select Paper, Write Comment, Click Post Comment. Papers list: https://mol2net-08.sciforum.net/presentations/view,
Workshop link: https://mol2net-08.sciforum.net/#reviewwwers



 
 
Top